SCHEMBL6429709

SCHEMBL6429709

COC(=O)c1c(Oc2c(C)cc(Cl)cc2C)ncc(C)c1NC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.36
SCN9A Q15858 5/20 0.35
HPGDS O60760 1/20 0.34
LRRK2 Q5S007 2/20 0.34
SCN5A Q14524 3/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6797534 0.81 PDE1B (0.36) SCN9AHPGDSLRRK2PDE1BPDE1C
SCHEMBL5844055 0.81 PDE1B (0.36) SCN9AHPGDSLRRK2PDE1BPDE1C
SCHEMBL6792201 0.73 HSP90AA1 (0.41) PDE1BPDE1CKCNH2
SCHEMBL6429703 0.73 PDGFRB (0.36) HPGDSLRRK2PDCD1CD274PDE1B
SCHEMBL6799142 0.72 LRRK2 (0.36) LRRK2PDE1B
SCHEMBL6799139 0.72 LRRK2 (0.36) LRRK2PDE1B
SCHEMBL6799775 0.72 LRRK2 (0.38) HPGDSLRRK2PDCD1CD274PDE1B
SCHEMBL5845474 0.71 HPGDS (0.38) HPGDSPDE1BPDE1CKCNH2
SCHEMBL6428206 0.71 SCN9A (0.35) SCN9ASCN5A
SCHEMBL6800033 0.70 GRM5 (0.38) HPGDSPDE1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed